L886-0484 Screening compound: {3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(phenyl)methanone

L886-0484 Screening compound: {3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(phenyl)methanone
L886-0484 Screening compound: {3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0484
{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(phenyl)methanone

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L886-0484

Molecular Formula

C19H22N6OS (C19 H22 N6 OS)

Compound Name

{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(phenyl)methanone

IUPAC name

3-{5-benzoyl-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}-4-ethyl-5-(methylsulfanyl)-4H-124-triazole

SMILES

CCn1c(SC)nnc1-c1nn(C)c(CC2)c1CN2C(c1ccccc1)=O

InChI

InChI=1S/C19H22N6OS/c1-4-25-17(20-21-19(25)27-3)16-14-12-24(11-10-15(14)23(2)22-16)18(26)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3

InChI Key

FSKLKLJPGFWDHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.636

Distribution Coefficient, logD

1.598

Water Solubility, LogSw

-2.21

Polar Surface Area

55.565

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

L886-0484 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L886-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0484?
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What is the minimum amount of L886-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0484
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L886-0484 available by request